Brief Description of the Models

The model of Tipping et al. (1988) is an example of an electrostatic discrete functional group model. The effects of variable solution ionic strength and pH on the apparent surface acidity constants (polyelectrolyte effects) are accounted for by the incorporation of an electrostatic term exp(—2wzZ) in the equilibrium constants. A brief description of the model is given below. 

A brief description of the model used for the pair potential as well as of the perturbation theory used in the calculations is given in the next two sections, followed by the results of the calculations and a discussion of the effect of various variables on stability. 

For example, four microstructural models of the product formation process in solid-solid systems can be distinguished based on the results of the experimental methods discussed in this chapter. Brief descriptions of the models are presented in Fig. 76. 

A brief description of the model will be given, followed by examples of its use. 

In the next sections, a brief description of the modelling approach applied in the ICAR code and an overview of planned future developments will be given. 

We now proceed with a brief description of the most important results obtained for some simple models, and with some original applications of the ROZ equations. 

In order to get better insight into the nature of the isotope effect involved in these ion-molecule reactions, we are currently attempting to treat stripping reactions by the technique of wave vector analysis which has been successful in nuclear stripping reactions (11). The model is primarily classical, but it incorporates the vibrational and rotational properties of the molecule-ions which may be important. A brief description of the method follows. 

The kinetics of the ammonia synthesis have been discussed as an example of micro-kinetic modeling in Chapter 7. Here we present a brief description of the process, concentrating on how process variables are related to the microscopic details and the optimization of the synthesis. 

In this chapter, a brief description of the concepts and tools available for multimedia modelling to support the environmental risk assessment is given. The environmental fate assessment is the base of a more complex study, the... 

After this brief description of the present status of quantum mechanical calculations of organic photochemical reactivities, we shall turn our attention to the second principal ingredient of the simplified model of organic photochemistry, namely the use of simple MO arguments. Again, we shall start by listing some leading references which were found most useful. 

Parameters subject to calibration within SWAT were selected after a preliminary sensitivity analysis and literature review, to partially compensate for the inadequacy of the initial values assumed for some of them (especially those related to soil type), model structure and other sources of uncertainty. A detailed description about the SWAT parameters can be found in [5, 6], while a brief description of the selected parameters is provided next ... 

Below is a brief description of the three-step model, outlining the most important concepts, without any mathematical analysis. 

Reversed-phase ion-pair chromatography is primarily used for the separation of mixtures of ionic and ionizable compounds. In this chromatographic mode, a pairing ion is added to the mobile phase in order to modulate the retention of the ionic solutes. The pairing ion is an organic ion such as alkylsulfonate, alkylsulfate, alkylamine, tetraalkylammonium ion, etc. Here, only a very brief description of the main ideas behind the electrostatic model for ion-pair chromatography is presented. For a complete discussion, the reader is referred to Ref. [7,8] and the references therein. 

Tortusity factors have been calculated based on different models adopted by different theories. The ribbon and disk-like shapes of nanoclay have been considered in this study. Maji et al. [201] and Sun et al. [202] tabulated most of theories for permeability model equations. The brief descriptions of the theories are tabulated in Table 8. Figure 32 shows the experimental value of relative... 

A detailed review of the various mixture formulas has been presented by Kraszewski (1977), and Nelson, Kraszewski and You (1991). Nelson (1994) also has an extensive bibliography on the subject. Following is a brief description of the major mixture models. 

In the following part we will give a brief description of the "anionic group theory" for the NLO effects in crystals, including the basic concepts and calculation methods adopted. In the next section we will discuss how to use this theoretical model to develop new UV NLO crystals in the borate series. Finally, the measurements and characteristic features of the NLO properties of these new borate crystals will be discussed. 

The review will begin with a brief description of the progress in the field over the past three decades and will provide a perspective of how the electrochemical measurements have developed in this growing field. This will be followed by a theoretical section which provides some general theoretical principles behind the technique. A description of some of the new microscopic approaches to modelling the nonlinear source currents from metal surfaces will also be presented. An experimental technique section will describe the details involved in making a variety of surface SH measurements. A summary of the results of experimental studies conducted in the past few years on single crystal electrode surfaces in solution will follow. The discussion will draw upon related work performed in UHV and studies on polycrystalline surfaces where comparisons are appropriate. For a more comprehensive discussion of these later two topics, the reader is referred to several other recent reviews [7,9]. 

A brief description of the hybrid model based on application of the rectangular well potential was given in Section V.E. 

First, a brief description of the neutron-proton Interacting Boson Model (IBM-2) is given. Next, this model is applied to experimental data in order to determine its empirical parameters. Finally, we discuss why an accurate determination of these parameters is so important. 

Below, the one-dimensional band structure of simple linear conjugated polymers is outlined, followed by a brief description of the use of some model 7t-conjugated molecules for conjugated polymers. Then, to close out the chapter, the description of the properties of conjugated polymers is extended to issues of optical absorption and photo-luminescence. 

As shown in this brief description of the contents, the book aims to present the main aspects and applications of continuum solvation models in a clear and concise format, which will be useful to the expert researcher but also to Ph.D. students and postdoctoral... 

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